Geometry & MOs

Info

ID:	442625
PubChem CID:	135253414
Reduced:	ClON2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	6.76
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propanoyloxybutyl hexanoate

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)Cl)CCCN4CCOCC4

DOS

IR

Vibrations